SMILES:
CC(C)(C)OC(=O)N1CCC(=C(C#N)c2ccno2)CC1Molecular Processing
Molecular formula
C15H19N3O3
Molecular weight
289.34
Exact mass
289.1426
XLogP
2.98
TPSA
79.36
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
76.08
Supplementary Information
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